features
Differences
This shows you the differences between two versions of the page.
Both sides previous revisionPrevious revisionNext revision | Previous revisionNext revisionBoth sides next revision | ||
features [2022/02/08 15:13] – tsaue | features [2022/03/03 10:55] – erik.hedegard_teokem.lu.se | ||
---|---|---|---|
Line 1: | Line 1: | ||
==== New features in DIRAC22 ==== | ==== New features in DIRAC22 ==== | ||
+ | |||
| | ||
- | | + | * ** New licence **: [[https:// |
* ** Electronic circular dichroism (ECD) beyond lowest-order -- full light-matter interaction**. Contributors: | * ** Electronic circular dichroism (ECD) beyond lowest-order -- full light-matter interaction**. Contributors: | ||
* Reference : M. van Horn, T. Saue, N. H. List. // Probing Chirality across the Electromagnetic Spectrum with the Full Semiclassical Light-Matter Interaction. // [[https:// | * Reference : M. van Horn, T. Saue, N. H. List. // Probing Chirality across the Electromagnetic Spectrum with the Full Semiclassical Light-Matter Interaction. // [[https:// | ||
Line 12: | Line 12: | ||
* **Polarizable Embedding with Complex Polarization Propagator**. | * **Polarizable Embedding with Complex Polarization Propagator**. | ||
* Contributors: | * Contributors: | ||
- | * Reference: // Polarizable embedding complex polarization propagator in four- and two-component frameworks. // [[https:// | + | * Reference: // Polarizable embedding complex polarization propagator in four- and two-component frameworks. // [[https:// |
- | * Manual: | + | * Manual: |
== Infrastructure changes and fixes == | == Infrastructure changes and fixes == | ||
Line 27: | Line 27: | ||
== Improvements == | == Improvements == | ||
* DIIS replaced by [[https:// | * DIIS replaced by [[https:// | ||
- | * Reference ExaCorr: [[https:// | + | * Reference ExaCorr: |
* Manual: [[http:// | * Manual: [[http:// | ||
features.txt · Last modified: 2024/02/21 16:21 by aspg